============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 0 rings ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vumM1 ASN 1 HA 0.00 -0.08 0.05 -0.75 4.76 3.98 2vumM1 ASN 1 HB2 0.00 -0.04 0.03 -0.04 2.88 2.82 2vumM1 ASN 1 HB3 0.00 -0.03 0.02 -0.04 2.79 2.75 2vumM1 ASN 1 HD21 0.00 -0.01 -0.01 -0.04 7.03 6.97 2vumM1 ASN 1 HD22 0.00 -0.03 0.01 -0.04 7.74 7.67 2vumM1 GLY 5 HA2 0.00 -0.14 0.28 -0.51 4.01 3.64 2vumM1 GLY 5 HA3 0.00 -0.06 0.10 -0.51 4.01 3.54 2vumM1 ILE 6 H 0.00 0.02 0.06 -0.55 8.25 7.78 2vumM1 ILE 6 HA 0.00 0.14 0.65 -0.75 4.18 4.22 2vumM1 ILE 6 HB 0.00 -0.03 0.07 -0.04 1.89 1.89 2vumM1 ILE 6 HG12 0.00 0.05 -0.05 -0.04 1.49 1.45 2vumM1 ILE 6 HG13 0.00 -0.03 0.01 -0.04 1.21 1.15 2vumM1 ILE 6 HG23 0.00 -0.01 -0.00 -0.04 0.93 0.88 2vumM1 ILE 6 HD13 0.00 -0.01 0.01 -0.04 0.88 0.83 2vumM1 GLY 7 H 0.00 0.10 0.01 -0.55 8.43 8.00 2vumM1 GLY 7 HA2 0.00 -0.03 0.12 -0.51 4.01 3.59 2vumM1 GLY 7 HA3 0.00 0.14 0.44 -0.51 4.01 4.08